10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine

C39H24N4O4 — CID 140893467

IUPAC10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine
SMILESc1ccc2c(c1)Oc1ccc(Oc3ccc4c(c3)N(c3nc5ccccc5[nH]3)c3ccccc3O4)cc1C2c1nc2ccccc2o1
InChIInChI=1S/C39H24N4O4/c1-6-14-32-25(9-1)37(38-40-29-12-4-7-15-34(29)47-38)26-21-23(17-19-33(26)45-32)44-24-18-20-36-31(22-24)43(30-13-5-8-16-35(30)46-36)39-41-27-10-2-3-11-28(27)42-39/h1-22,37H,(H,41,42)
InChIKeyRMZUNMOBGVLINM-UHFFFAOYSA-N
MW612.65 g/mol
LogP10.36
Rot. Bonds4

About 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine

10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine (PubChem CID 140893467) has the molecular formula C39H24N4O4 and a molecular weight of 612.65 g/mol. Its IUPAC name is 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine.

Molecular Properties

Compound Name10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine
PubChem CID140893467
Molecular FormulaC39H24N4O4
Molecular Weight612.65 g/mol
Exact Mass612.18
IUPAC Name10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine
SMILESc1ccc2c(c1)Oc1ccc(Oc3ccc4c(c3)N(c3nc5ccccc5[nH]3)c3ccccc3O4)cc1C2c1nc2ccccc2o1
InChIInChI=1S/C39H24N4O4/c1-6-14-32-25(9-1)37(38-40-29-12-4-7-15-34(29)47-38)26-21-23(17-19-33(26)45-32)44-24-18-20-36-31(22-24)43(30-13-5-8-16-35(30)46-36)39-41-27-10-2-3-11-28(27)42-39/h1-22,37H,(H,41,42)
InChIKeyRMZUNMOBGVLINM-UHFFFAOYSA-N
XLogP10.36
TPSA85.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.65
LogP ≤ 510.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine?
The IUPAC name of 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine (CID 140893467) is 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine.
What is the SMILES notation for 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine?
The canonical SMILES for 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine is c1ccc2c(c1)Oc1ccc(Oc3ccc4c(c3)N(c3nc5ccccc5[nH]3)c3ccccc3O4)cc1C2c1nc2ccccc2o1.
What is the InChIKey of 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine?
The InChIKey is RMZUNMOBGVLINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4O4/c1-6-14-32-25(9-1)37(38-40-29-12-4-7-15-34(29)47-38)26-21-23(17-19-33(26)45-32)44-24-18-20-36-31(22-24)43(30-13-5-8-16-35(30)46-36)39-41-27-10-2-3-11-28(27)42-39/h1-22,37H,(H,41,42).
What are the key properties of 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine?
10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine has a molecular weight of 612.65 g/mol, XLogP of 10.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine is sourced from PubChem (CID 140893467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).